(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

C17H13ClN2O3S — CID 16633301

IUPAC(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyJINLNTDTPXCQQZ-PRUKMKNLSA-N
MW360.82 g/mol
LogP4.11
Rot. Bonds3

About (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (PubChem CID 16633301) has the molecular formula C17H13ClN2O3S and a molecular weight of 360.82 g/mol. Its IUPAC name is (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
PubChem CID16633301
Molecular FormulaC17H13ClN2O3S
Molecular Weight360.82 g/mol
Exact Mass360.03
IUPAC Name(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-
InChIKeyJINLNTDTPXCQQZ-PRUKMKNLSA-N
XLogP4.11
TPSA73.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633206
(5Z)-3-(4-chlorophenyl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16627109
(5Z)-3-(3,4-dichlorophenyl)-5-[(3,4-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 16633611
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 16633396
(5E)-5-[(4-chlorophenyl)methylidene]-2-imino-3-phenyl-1,3-thiazolidin-4-one
CID 6342893
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-imino-3-(4-methylphenyl)-1,3-thiazolidin-4-one
CID 16633172
4-[(5Z)-5-[(4-chlorophenyl)methylidene]-2-imino-4-oxo-1,3-thiazolidin-3-yl]benzoic acid
CID 18824600
(5Z)-5-[[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-3-(4-fluorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633356
(5Z)-5-[(3-bromophenyl)methylidene]-3-(4-chlorophenyl)-2-imino-1,3-thiazolidin-4-one
CID 16633317
(5Z)-3-(4-chlorophenyl)-5-[(3-methoxy-4-methylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126331129
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-imino-3-(3-methylphenyl)-1,3-thiazolidin-4-one
CID 16633209
(5E)-3-(1,3-benzodioxol-5-yl)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
CID 1258951

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one (CID 16633301) is (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(O)c(OC)c2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
The InChIKey is JINLNTDTPXCQQZ-PRUKMKNLSA-N. The full InChI is InChI=1S/C17H13ClN2O3S/c1-23-14-8-10(2-7-13(14)21)9-15-16(22)20(17(19)24-15)12-5-3-11(18)4-6-12/h2-9,19,21H,1H3/b15-9-,19-17-.
What are the key properties of (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one?
(5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one has a molecular weight of 360.82 g/mol, XLogP of 4.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).